Molecular orbital calculations are reported on the structure and electronic properties of diphenyl sulfide using both semiempirical and ab initio methods. Neither the MNDO nor AM1 methods give satisfactory structures, but better results are obtained with the PM3 method. At the ab initio level, the 4
Theoretical Studies on the Electronic Structures and Optical Properties of Tri-aryl End-capped Terthiophene Derivatives
β Scribed by Ni Wei; Prof. Dr. Wenliang Wang; Shiwei Yin; Song Du; Weina Wang
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 150 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0256-7660
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